N-(3-methylbutyl)-2-(oxolan-2-ylmethylamino)acetamide

C12H24N2O2 — CID 60671403

IUPACN-(3-methylbutyl)-2-(oxolan-2-ylmethylamino)acetamide
SMILESCC(C)CCNC(=O)CNCC1CCCO1
InChIInChI=1S/C12H24N2O2/c1-10(2)5-6-14-12(15)9-13-8-11-4-3-7-16-11/h10-11,13H,3-9H2,1-2H3,(H,14,15)
InChIKeyKNQSHCUPJNEPRM-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.92
Rot. Bonds7

About N-(3-methylbutyl)-2-(oxolan-2-ylmethylamino)acetamide

N-(3-methylbutyl)-2-(oxolan-2-ylmethylamino)acetamide (PubChem CID 60671403) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is N-(3-methylbutyl)-2-(oxolan-2-ylmethylamino)acetamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-2-(oxolan-2-ylmethylamino)acetamide
PubChem CID60671403
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC NameN-(3-methylbutyl)-2-(oxolan-2-ylmethylamino)acetamide
SMILESCC(C)CCNC(=O)CNCC1CCCO1
InChIInChI=1S/C12H24N2O2/c1-10(2)5-6-14-12(15)9-13-8-11-4-3-7-16-11/h10-11,13H,3-9H2,1-2H3,(H,14,15)
InChIKeyKNQSHCUPJNEPRM-UHFFFAOYSA-N
XLogP0.92
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[(2R)-oxolan-2-yl]methyl]-2-[[(2R)-oxolan-2-yl]methylamino]acetamide
CID 7437120
N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-2-(oxolan-2-ylmethylamino)acetamide
CID 119834444
methyl 3-[[2-(oxolan-2-ylmethylamino)acetyl]amino]propanoate;hydrochloride
CID 119726630
N-[3-(dimethylamino)propyl]-2-(oxolan-2-ylmethylamino)acetamide
CID 108994233
oxalic acid;N-(oxolan-2-ylmethyl)-2-(oxolan-2-ylmethylamino)acetamide
CID 175652932
N-[(2S)-butan-2-yl]-2-[[(2R)-oxolan-2-yl]methylamino]acetamide
CID 28585328
N-(2-morpholin-4-ylethyl)-2-(oxolan-2-ylmethylamino)acetamide
CID 108994232
N-butan-2-yl-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride
CID 71944060
N-(cyclohexylmethyl)-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride
CID 119672529
N-(3-methylbutyl)-2-[(2-methylcyclopentyl)methylamino]acetamide
CID 107418064
2-(butylamino)-N-(oxolan-2-ylmethyl)acetamide
CID 54815697
3-methyl-N-(oxolan-2-ylmethyl)butanamide
CID 3509797

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-2-(oxolan-2-ylmethylamino)acetamide?
The IUPAC name of N-(3-methylbutyl)-2-(oxolan-2-ylmethylamino)acetamide (CID 60671403) is N-(3-methylbutyl)-2-(oxolan-2-ylmethylamino)acetamide.
What is the SMILES notation for N-(3-methylbutyl)-2-(oxolan-2-ylmethylamino)acetamide?
The canonical SMILES for N-(3-methylbutyl)-2-(oxolan-2-ylmethylamino)acetamide is CC(C)CCNC(=O)CNCC1CCCO1.
What is the InChIKey of N-(3-methylbutyl)-2-(oxolan-2-ylmethylamino)acetamide?
The InChIKey is KNQSHCUPJNEPRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-10(2)5-6-14-12(15)9-13-8-11-4-3-7-16-11/h10-11,13H,3-9H2,1-2H3,(H,14,15).
What are the key properties of N-(3-methylbutyl)-2-(oxolan-2-ylmethylamino)acetamide?
N-(3-methylbutyl)-2-(oxolan-2-ylmethylamino)acetamide has a molecular weight of 228.34 g/mol, XLogP of 0.92, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-2-(oxolan-2-ylmethylamino)acetamide is sourced from PubChem (CID 60671403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).